2-phenyl-3-propan-2-yloxy-2-(trifluoromethyl)-1-oxa-4-azaspiro[4.5]dec-3-ene

C18H22F3NO2 — CID 15363395

IUPAC2-phenyl-3-propan-2-yloxy-2-(trifluoromethyl)-1-oxa-4-azaspiro[4.5]dec-3-ene
SMILESCC(C)OC1=NC2(CCCCC2)OC1(c1ccccc1)C(F)(F)F
InChIInChI=1S/C18H22F3NO2/c1-13(2)23-15-17(18(19,20)21,14-9-5-3-6-10-14)24-16(22-15)11-7-4-8-12-16/h3,5-6,9-10,13H,4,7-8,11-12H2,1-2H3
InChIKeyHJCRVSJAGUOFJA-UHFFFAOYSA-N
MW341.37 g/mol
LogP4.96
Rot. Bonds2

About 2-phenyl-3-propan-2-yloxy-2-(trifluoromethyl)-1-oxa-4-azaspiro[4.5]dec-3-ene

2-phenyl-3-propan-2-yloxy-2-(trifluoromethyl)-1-oxa-4-azaspiro[4.5]dec-3-ene (PubChem CID 15363395) has the molecular formula C18H22F3NO2 and a molecular weight of 341.37 g/mol. Its IUPAC name is 2-phenyl-3-propan-2-yloxy-2-(trifluoromethyl)-1-oxa-4-azaspiro[4.5]dec-3-ene.

Molecular Properties

Compound Name2-phenyl-3-propan-2-yloxy-2-(trifluoromethyl)-1-oxa-4-azaspiro[4.5]dec-3-ene
PubChem CID15363395
Molecular FormulaC18H22F3NO2
Molecular Weight341.37 g/mol
Exact Mass341.16
IUPAC Name2-phenyl-3-propan-2-yloxy-2-(trifluoromethyl)-1-oxa-4-azaspiro[4.5]dec-3-ene
SMILESCC(C)OC1=NC2(CCCCC2)OC1(c1ccccc1)C(F)(F)F
InChIInChI=1S/C18H22F3NO2/c1-13(2)23-15-17(18(19,20)21,14-9-5-3-6-10-14)24-16(22-15)11-7-4-8-12-16/h3,5-6,9-10,13H,4,7-8,11-12H2,1-2H3
InChIKeyHJCRVSJAGUOFJA-UHFFFAOYSA-N
XLogP4.96
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(E)-1-phenylbut-2-enyl] 2,2,2-trifluoro-N-(2-phenylethyl)ethanimidate
CID 139250962
(6R)-6-methyl-2-[(1R)-2,2,2-trifluoro-1-methoxy-1-phenylethyl]-5,6-dihydro-4H-1,3-oxazine
CID 10850828
3-Ethoxy-2-phenyl-2-(trifluoromethyl)-1-oxa-4-azaspiro[4.5]dec-3-ene
CID 15363396
4-Tert-butyl-5,5-difluoro-2-phenyl-4-(2-phenylethoxy)-1,3-oxazole
CID 70293533
2-(3,3-diphenyloxiran-2-yl)-4,4-dimethyl-5H-1,3-oxazole
CID 11033697
2-(2-ethyl-3,3-diphenyloxiran-2-yl)-4,4-dimethyl-5H-1,3-oxazole
CID 12969918
2-[(2R)-3,3-diphenyloxiran-2-yl]-4,4-dimethyl-5H-1,3-oxazole
CID 101992705
2-[(2S)-3,3-diphenyloxiran-2-yl]-4,4-dimethyl-5H-1,3-oxazole
CID 102371178
(5S)-5-methyl-2-[(1S)-2,2,2-trifluoro-1-methoxy-1-phenylethyl]-4,5-dihydro-1,3-oxazole
CID 10540177
(6S)-6-methyl-2-[(1R)-2,2,2-trifluoro-1-methoxy-1-phenylethyl]-5,6-dihydro-4H-1,3-oxazine
CID 10708404
(5S)-5-methyl-2-[(1R)-2,2,2-trifluoro-1-methoxy-1-phenylethyl]-4,5-dihydro-1,3-oxazole
CID 10730943
2-[3,3-bis(4-fluorophenyl)oxiran-2-yl]-4,4-dimethyl-5H-1,3-oxazole
CID 11255947

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-propan-2-yloxy-2-(trifluoromethyl)-1-oxa-4-azaspiro[4.5]dec-3-ene?
The IUPAC name of 2-phenyl-3-propan-2-yloxy-2-(trifluoromethyl)-1-oxa-4-azaspiro[4.5]dec-3-ene (CID 15363395) is 2-phenyl-3-propan-2-yloxy-2-(trifluoromethyl)-1-oxa-4-azaspiro[4.5]dec-3-ene.
What is the SMILES notation for 2-phenyl-3-propan-2-yloxy-2-(trifluoromethyl)-1-oxa-4-azaspiro[4.5]dec-3-ene?
The canonical SMILES for 2-phenyl-3-propan-2-yloxy-2-(trifluoromethyl)-1-oxa-4-azaspiro[4.5]dec-3-ene is CC(C)OC1=NC2(CCCCC2)OC1(c1ccccc1)C(F)(F)F.
What is the InChIKey of 2-phenyl-3-propan-2-yloxy-2-(trifluoromethyl)-1-oxa-4-azaspiro[4.5]dec-3-ene?
The InChIKey is HJCRVSJAGUOFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3NO2/c1-13(2)23-15-17(18(19,20)21,14-9-5-3-6-10-14)24-16(22-15)11-7-4-8-12-16/h3,5-6,9-10,13H,4,7-8,11-12H2,1-2H3.
What are the key properties of 2-phenyl-3-propan-2-yloxy-2-(trifluoromethyl)-1-oxa-4-azaspiro[4.5]dec-3-ene?
2-phenyl-3-propan-2-yloxy-2-(trifluoromethyl)-1-oxa-4-azaspiro[4.5]dec-3-ene has a molecular weight of 341.37 g/mol, XLogP of 4.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-propan-2-yloxy-2-(trifluoromethyl)-1-oxa-4-azaspiro[4.5]dec-3-ene is sourced from PubChem (CID 15363395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).